SCHEMBL7652755

SCHEMBL7652755

Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)Nc3ccc(-c4noc(C)n4)cc3)CC2)c(C)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.59
POLB P06746 2/20 0.53
LMNA P02545 4/20 0.51
DGAT1 O75907 2/20 0.48
GAA P10253 1/20 0.47
THRB P10828 2/20 0.47
ALDH1A1 P00352 1/20 0.46
NPC1 O15118 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7076839 0.86 KMT2A (0.59) MAPTPOLBLMNAGAATHRB
SCHEMBL7075110 0.86 LMNA (0.49) MAPTPOLBLMNATHRBMEN1
SCHEMBL7655621 0.83 LMNA (0.57) MAPTPOLBLMNADGAT1GAA
SCHEMBL7075151 0.83 HDAC4 (0.49) MAPTLMNADGAT1GAATHRB
SCHEMBL7654110 0.82 LMNA (0.53) MAPTPOLBLMNADGAT1GAA
SCHEMBL7648189 0.81 LMNA (0.53) MAPTPOLBLMNADGAT1GAA
SCHEMBL7070001 0.81 THRB (0.63) MAPTPOLBLMNADGAT1GAA
SCHEMBL7649347 0.80 LMNA (0.53) MAPTPOLBLMNADGAT1GAA
SCHEMBL7654095 0.78 GAA (0.53) MAPTPOLBGAAALDH1A1NPC1
SCHEMBL7074329 0.77 MAPT (0.59) MAPTPOLBLMNADGAT1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6492368-B1 Benzamidine derivatives as factor XA inhibitors MERCK PATENT GMBH (DE) 2002-12-10 US disclosed